SCHEMBL69899

SCHEMBL69899

Cc1cc(Cc2cc(C)c(O)c(Br)c2)cc(Br)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.55
PTPN1 P18031 2/20 0.52
HMGB1 P09429 1/20 0.52
CXCL12 P48061 1/20 0.52
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31169642 1.00 SHBG (0.55) SHBGPTPN1HMGB1CXCL12ESR1
Water SCHEMBL31169652 0.96 SHBG (0.52) SHBGPTPN1HMGB1CXCL12ESR1
SCHEMBL10826036 0.89 SHBG (0.46) SHBGPTPN1HMGB1CXCL12ESR1
SCHEMBL10826334 0.89 PTPN1 (0.47) SHBGPTPN1HMGB1CXCL12ESR1
SCHEMBL10149209 0.84 PTGS1 (0.43) SHBGPTPN1HMGB1CXCL12ESR1
SCHEMBL10826065 0.83 PTGS1 (0.44) SHBGPTPN1HMGB1CXCL12ESR1
SCHEMBL35308 0.83 PTPN1 (0.61) SHBGPTPN1HMGB1CXCL12CA1
SCHEMBL68876 0.83 SHBG (0.67) SHBGHMGB1CXCL12ESR1ESR2
SCHEMBL5599293 0.83 PTGS2 (0.44) SHBGPTPN1HMGB1CXCL12ESR1
SCHEMBL11072308 0.83 PTGS2 (0.44) SHBGPTPN1HMGB1CXCL12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 SHBG 4659/4885PTPN1 3997/4885HMGB1 3986/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.